SCHEMBL6431980

SCHEMBL6431980

Cc1ccc(Nc2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
HPGD P15428 1/20 0.59
NAMPT P43490 3/20 0.57
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KIF11 P52732 1/20 0.49
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CYP17A1 P05093 1/20 0.48
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
KDM4E B2RXH2 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29793056 0.85 KIF11 (0.60) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL1368828 0.85 KIF11 (0.60) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL29845262 0.83 KMT2A (0.61) RAB9ANPC1NAMPTALDH1A1MAPT
Ethane SCHEMBL18228141 0.83 ADRA2A (0.55) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL4591751 0.83 KMT2A (0.61) RAB9ANPC1NAMPTALDH1A1MAPT
SCHEMBL20194707 0.81 KIF11 (0.53) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL1931380 0.81 NPSR1 (0.60) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL968252 0.80 CYP11B1 (0.56) RAB9ANPC1POLBMAPTLMNA
SCHEMBL4813904 0.80 RAD52 (0.61) RAB9ANPC1ALDH1A1POLBMAPT
SCHEMBL11875326 0.80 MAPT (0.55) RAB9ANPC1HPGDALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782986-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-02-24 EP disclosed
CN-108373416-B Method for synthesizing diarylamine by photo/nickel concerted catalysis 陕西师范大学 2020-11-17 CN disclosed
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-09 US disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 RAB9A 692/4885NPC1 518/4885HPGD 3443/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 RAB9A 377/4885NPC1 50/4885HPGD 2051/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 RAB9A 2246/4885NPC1 660/4885HPGD 3730/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.